N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine

C18H27N3 — CID 105121579

IUPACN-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H27N3/c1-6-12-19-18(16-10-8-15(7-2)9-11-16)17-13(3)20-21(5)14(17)4/h8-11,18-19H,6-7,12H2,1-5H3
InChIKeyLYNNOIROYABQNE-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.69
Rot. Bonds6

About N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine

N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 105121579) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID105121579
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)c1c(C)nn(C)c1C
InChIInChI=1S/C18H27N3/c1-6-12-19-18(16-10-8-15(7-2)9-11-16)17-13(3)20-21(5)14(17)4/h8-11,18-19H,6-7,12H2,1-5H3
InChIKeyLYNNOIROYABQNE-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105096984
N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 115604781
N-[(3-propylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105187849
N-[(4-ethylphenyl)-phenylmethyl]propan-1-amine
CID 43494878
[2-(4-ethylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105287881
N-[(2,5-dimethylpyrazol-3-yl)-(4-propylphenyl)methyl]propan-1-amine
CID 105144407
N-[2,2-difluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 80604939
N-[1-(4-ethylphenyl)propyl]-1,3,5-trimethylpyrazol-4-amine
CID 43310036
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105137535

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine (CID 105121579) is N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(CC)cc1)c1c(C)nn(C)c1C.
What is the InChIKey of N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is LYNNOIROYABQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-12-19-18(16-10-8-15(7-2)9-11-16)17-13(3)20-21(5)14(17)4/h8-11,18-19H,6-7,12H2,1-5H3.
What are the key properties of N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine?
N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105121579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).